UCSF

ZINC31689070

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.36 3.25 -189.66 1 6 -3 124 311.146 3
Mid Mid (pH 6-8) 1.36 2.1 -96.45 2 6 -2 121 312.154 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )